USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -51:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot -10:sc= 0.00742 USER MOD Set 2.1: A 7 THR OG1 : rot 109:sc= 0.0179 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.128 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -159:sc= 0.962 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.838 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.22 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.477) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 25 ASN : amide:sc= 0.675 K(o=0.68,f=-0.072) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.68 (180deg=-0.152) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0086) USER MOD Single : A 49 GLN : amide:sc= -0.759 K(o=-0.76,f=-3.5!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.524 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 62 GLN : amide:sc= -0.0656 K(o=-0.066,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= 0.871 (180deg=-0.129) USER MOD Single : A 65 SER OG : rot 113:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.622 -7.186 -4.895 1.00 9.67 N ATOM 2 CA MET A 1 11.543 -7.702 -3.471 1.00 10.38 C ATOM 3 C MET A 1 10.068 -7.982 -3.072 1.00 9.62 C ATOM 4 O MET A 1 9.174 -7.421 -3.677 1.00 9.62 O ATOM 5 CB MET A 1 12.171 -6.542 -2.578 1.00 13.77 C ATOM 6 CG MET A 1 11.229 -5.390 -2.312 1.00 16.29 C ATOM 7 SD MET A 1 12.070 -4.049 -1.547 1.00 17.17 S ATOM 8 CE MET A 1 10.628 -3.018 -1.209 1.00 16.11 C ATOM 0 H1 MET A 1 12.612 -6.972 -5.132 1.00 9.67 H new ATOM 0 H2 MET A 1 11.258 -7.910 -5.547 1.00 9.67 H new ATOM 0 H3 MET A 1 11.051 -6.322 -4.983 1.00 9.67 H new ATOM 0 HA MET A 1 12.077 -8.644 -3.342 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.490 -6.964 -1.625 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.064 -6.160 -3.073 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.783 -5.057 -3.249 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.413 -5.724 -1.672 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.933 -2.141 -0.638 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.180 -2.700 -2.150 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.899 -3.589 -0.635 1.00 16.11 H new ATOM 20 N GLN A 2 9.859 -8.813 -2.043 1.00 9.27 N ATOM 21 CA GLN A 2 8.643 -9.029 -1.400 1.00 9.07 C ATOM 22 C GLN A 2 8.284 -8.005 -0.412 1.00 8.72 C ATOM 23 O GLN A 2 9.137 -7.405 0.216 1.00 8.22 O ATOM 24 CB GLN A 2 8.673 -10.413 -0.725 1.00 14.46 C ATOM 25 CG GLN A 2 7.298 -10.978 -0.314 1.00 17.01 C ATOM 26 CD GLN A 2 7.527 -12.455 0.035 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.125 -13.286 -0.785 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.206 -12.713 1.186 1.00 19.49 N ATOM 0 H GLN A 2 10.614 -9.370 -1.642 1.00 9.27 H new ATOM 0 HA GLN A 2 7.874 -8.975 -2.171 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.149 -11.120 -1.405 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.302 -10.352 0.163 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.894 -10.435 0.540 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.578 -10.877 -1.126 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.491 -11.945 1.793 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.430 -13.675 1.442 1.00 19.49 H new ATOM 37 N ILE A 3 6.970 -7.749 -0.207 1.00 5.87 N ATOM 38 CA ILE A 3 6.423 -6.986 0.893 1.00 5.07 C ATOM 39 C ILE A 3 5.050 -7.581 1.231 1.00 4.01 C ATOM 40 O ILE A 3 4.374 -8.322 0.460 1.00 4.61 O ATOM 41 CB ILE A 3 6.228 -5.514 0.621 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.501 -5.160 -0.699 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.577 -4.776 0.814 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.880 -3.765 -0.682 1.00 10.83 C ATOM 0 H ILE A 3 6.249 -8.092 -0.842 1.00 5.87 H new ATOM 0 HA ILE A 3 7.149 -7.053 1.703 1.00 5.07 H new ATOM 0 HB ILE A 3 5.514 -5.150 1.359 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.208 -5.227 -1.526 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.720 -5.897 -0.886 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.441 -3.712 0.619 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.925 -4.915 1.838 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.315 -5.181 0.122 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.385 -3.575 -1.634 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.150 -3.701 0.125 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.661 -3.021 -0.524 1.00 10.83 H new ATOM 56 N PHE A 4 4.630 -7.323 2.481 1.00 4.55 N ATOM 57 CA PHE A 4 3.355 -7.757 3.032 1.00 4.68 C ATOM 58 C PHE A 4 2.483 -6.502 3.245 1.00 5.30 C ATOM 59 O PHE A 4 2.853 -5.441 3.678 1.00 5.58 O ATOM 60 CB PHE A 4 3.505 -8.415 4.413 1.00 4.83 C ATOM 61 CG PHE A 4 4.574 -9.451 4.342 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.347 -10.642 3.615 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.780 -9.322 5.049 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.313 -11.628 3.564 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.798 -10.327 4.860 1.00 10.61 C ATOM 66 CZ PHE A 4 6.571 -11.442 4.087 1.00 8.90 C ATOM 0 H PHE A 4 5.191 -6.791 3.147 1.00 4.55 H new ATOM 0 HA PHE A 4 2.924 -8.478 2.338 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.757 -7.665 5.162 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.562 -8.867 4.719 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.411 -10.782 3.095 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.942 -8.490 5.719 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.073 -12.573 3.100 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.759 -10.201 5.336 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.361 -12.153 3.896 1.00 8.90 H new ATOM 76 N VAL A 5 1.186 -6.647 2.913 1.00 4.44 N ATOM 77 CA VAL A 5 0.163 -5.636 3.065 1.00 3.87 C ATOM 78 C VAL A 5 -0.922 -6.251 3.923 1.00 4.93 C ATOM 79 O VAL A 5 -1.550 -7.243 3.498 1.00 6.84 O ATOM 80 CB VAL A 5 -0.310 -5.086 1.744 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.542 -4.167 2.018 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.732 -4.211 1.054 1.00 9.13 C ATOM 0 H VAL A 5 0.824 -7.514 2.516 1.00 4.44 H new ATOM 0 HA VAL A 5 0.551 -4.747 3.563 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.532 -5.939 1.102 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.905 -3.755 1.076 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.334 -4.750 2.488 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.249 -3.353 2.681 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.332 -3.845 0.108 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.978 -3.365 1.695 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.631 -4.797 0.865 1.00 9.13 H new ATOM 92 N LYS A 6 -1.254 -5.550 5.053 1.00 6.04 N ATOM 93 CA LYS A 6 -1.997 -6.105 6.203 1.00 6.12 C ATOM 94 C LYS A 6 -3.261 -5.323 6.436 1.00 6.57 C ATOM 95 O LYS A 6 -3.252 -4.102 6.499 1.00 5.76 O ATOM 96 CB LYS A 6 -1.176 -6.300 7.466 1.00 7.45 C ATOM 97 CG LYS A 6 -1.839 -7.207 8.546 1.00 11.12 C ATOM 98 CD LYS A 6 -1.699 -8.705 8.250 1.00 14.54 C ATOM 99 CE LYS A 6 -2.681 -9.665 9.016 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.245 -11.084 8.925 1.00 20.55 N ATOM 0 H LYS A 6 -1.003 -4.569 5.179 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.267 -7.124 5.927 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.213 -6.730 7.193 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.976 -5.323 7.906 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.391 -6.992 9.516 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.897 -6.956 8.621 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.839 -8.856 7.180 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.677 -9.005 8.483 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.737 -9.368 10.063 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.684 -9.565 8.602 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.055 -11.709 9.113 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.876 -11.273 7.971 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.499 -11.264 9.627 1.00 20.55 H new ATOM 114 N THR A 7 -4.352 -6.055 6.587 1.00 7.41 N ATOM 115 CA THR A 7 -5.711 -5.395 6.674 1.00 7.48 C ATOM 116 C THR A 7 -6.160 -5.739 8.117 1.00 8.75 C ATOM 117 O THR A 7 -5.788 -6.762 8.582 1.00 8.58 O ATOM 118 CB THR A 7 -6.823 -5.891 5.688 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.196 -7.264 5.698 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.385 -5.549 4.222 1.00 9.17 C ATOM 0 H THR A 7 -4.362 -7.073 6.653 1.00 7.41 H new ATOM 0 HA THR A 7 -5.602 -4.343 6.410 1.00 7.48 H new ATOM 0 HB THR A 7 -7.707 -5.368 6.051 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.089 -7.358 6.091 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.151 -5.889 3.525 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.257 -4.471 4.123 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.443 -6.049 3.998 1.00 9.17 H new ATOM 128 N LEU A 8 -6.927 -4.873 8.763 1.00 9.84 N ATOM 129 CA LEU A 8 -7.283 -4.859 10.152 1.00 14.15 C ATOM 130 C LEU A 8 -8.525 -5.605 10.497 1.00 17.37 C ATOM 131 O LEU A 8 -9.004 -5.692 11.621 1.00 17.01 O ATOM 132 CB LEU A 8 -7.490 -3.366 10.591 1.00 16.63 C ATOM 133 CG LEU A 8 -6.254 -2.449 10.467 1.00 18.88 C ATOM 134 CD1 LEU A 8 -6.555 -1.031 11.038 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.076 -3.088 11.198 1.00 18.59 C ATOM 0 H LEU A 8 -7.352 -4.089 8.267 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.467 -5.360 10.672 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.296 -2.940 9.993 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -7.823 -3.356 11.629 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.001 -2.332 9.413 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -5.669 -0.403 10.939 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.380 -0.583 10.484 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.826 -1.113 12.091 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -4.201 -2.443 11.112 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -5.329 -3.219 12.250 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -4.856 -4.059 10.754 1.00 18.59 H new ATOM 147 N THR A 9 -9.073 -6.267 9.481 1.00 18.33 N ATOM 148 CA THR A 9 -10.162 -7.184 9.394 1.00 19.24 C ATOM 149 C THR A 9 -9.574 -8.569 9.307 1.00 19.48 C ATOM 150 O THR A 9 -10.256 -9.614 9.642 1.00 23.14 O ATOM 151 CB THR A 9 -10.959 -6.829 8.033 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.040 -6.477 7.006 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.815 -5.576 8.359 1.00 19.70 C ATOM 0 H THR A 9 -8.677 -6.132 8.551 1.00 18.33 H new ATOM 0 HA THR A 9 -10.836 -7.126 10.249 1.00 19.24 H new ATOM 0 HB THR A 9 -11.556 -7.677 7.698 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.532 -6.265 6.185 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.382 -5.283 7.475 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.504 -5.807 9.172 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.161 -4.757 8.659 1.00 19.70 H new ATOM 161 N GLY A 10 -8.261 -8.689 8.890 1.00 19.43 N ATOM 162 CA GLY A 10 -7.569 -9.978 8.985 1.00 18.74 C ATOM 163 C GLY A 10 -7.235 -10.579 7.623 1.00 17.62 C ATOM 164 O GLY A 10 -7.749 -11.615 7.221 1.00 19.74 O ATOM 0 H GLY A 10 -7.703 -7.927 8.504 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.648 -9.848 9.554 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.192 -10.678 9.542 1.00 18.74 H new ATOM 168 N LYS A 11 -6.305 -9.981 6.885 1.00 13.56 N ATOM 169 CA LYS A 11 -5.732 -10.612 5.727 1.00 11.91 C ATOM 170 C LYS A 11 -4.288 -10.116 5.476 1.00 10.18 C ATOM 171 O LYS A 11 -3.921 -8.995 5.739 1.00 9.10 O ATOM 172 CB LYS A 11 -6.738 -10.411 4.471 1.00 13.43 C ATOM 173 CG LYS A 11 -6.381 -11.342 3.285 1.00 16.69 C ATOM 174 CD LYS A 11 -7.144 -11.047 2.001 1.00 17.92 C ATOM 175 CE LYS A 11 -8.647 -11.325 2.108 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.243 -11.380 0.802 1.00 21.93 N ATOM 0 H LYS A 11 -5.937 -9.050 7.081 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.628 -11.685 5.887 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.761 -10.608 4.791 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.702 -9.373 4.140 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.313 -11.261 3.085 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.573 -12.374 3.579 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.994 -10.002 1.730 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.727 -11.649 1.193 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.812 -12.268 2.629 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.126 -10.545 2.700 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.193 -11.797 0.871 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.315 -10.418 0.412 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.653 -11.964 0.176 1.00 21.93 H new ATOM 190 N THR A 12 -3.424 -11.046 4.922 1.00 9.63 N ATOM 191 CA THR A 12 -2.111 -10.701 4.410 1.00 9.85 C ATOM 192 C THR A 12 -2.173 -10.800 2.927 1.00 11.66 C ATOM 193 O THR A 12 -2.470 -11.804 2.366 1.00 12.33 O ATOM 194 CB THR A 12 -1.117 -11.709 4.903 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.207 -11.808 6.326 1.00 10.91 O ATOM 196 CG2 THR A 12 0.309 -11.256 4.562 1.00 9.63 C ATOM 0 H THR A 12 -3.651 -12.037 4.836 1.00 9.63 H new ATOM 0 HA THR A 12 -1.821 -9.701 4.733 1.00 9.85 H new ATOM 0 HB THR A 12 -1.334 -12.666 4.429 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.559 -12.468 6.650 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.022 -11.996 4.925 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.410 -11.154 3.481 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.509 -10.296 5.037 1.00 9.63 H new ATOM 204 N ILE A 13 -1.781 -9.745 2.236 1.00 10.42 N ATOM 205 CA ILE A 13 -1.536 -9.749 0.789 1.00 11.84 C ATOM 206 C ILE A 13 -0.059 -9.683 0.661 1.00 10.55 C ATOM 207 O ILE A 13 0.663 -8.883 1.298 1.00 11.92 O ATOM 208 CB ILE A 13 -2.185 -8.553 0.105 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.618 -8.201 0.721 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.342 -8.847 -1.386 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.111 -6.876 0.045 1.00 16.46 C ATOM 0 H ILE A 13 -1.618 -8.835 2.668 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.962 -10.631 0.311 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.535 -7.693 0.266 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.324 -9.011 0.536 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.550 -8.077 1.802 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.806 -7.993 -1.878 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.362 -9.031 -1.826 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.970 -9.728 -1.519 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.089 -6.606 0.444 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.401 -6.075 0.253 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.186 -7.023 -1.032 1.00 16.46 H new ATOM 223 N THR A 14 0.556 -10.606 -0.131 1.00 9.39 N ATOM 224 CA THR A 14 1.957 -10.792 -0.311 1.00 9.63 C ATOM 225 C THR A 14 2.247 -10.295 -1.740 1.00 11.20 C ATOM 226 O THR A 14 1.565 -10.778 -2.650 1.00 11.63 O ATOM 227 CB THR A 14 2.487 -12.189 -0.099 1.00 10.38 C ATOM 228 OG1 THR A 14 2.084 -12.721 1.121 1.00 16.30 O ATOM 229 CG2 THR A 14 4.050 -12.108 -0.139 1.00 11.66 C ATOM 0 H THR A 14 0.013 -11.269 -0.684 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.236 0.467 1.00 9.63 H new ATOM 0 HB THR A 14 2.095 -12.842 -0.879 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.446 -13.626 1.219 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.470 -13.103 0.011 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.370 -11.722 -1.107 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.400 -11.443 0.651 1.00 11.66 H new ATOM 237 N LEU A 15 3.182 -9.374 -1.919 1.00 8.29 N ATOM 238 CA LEU A 15 3.322 -8.712 -3.197 1.00 9.03 C ATOM 239 C LEU A 15 4.752 -8.566 -3.626 1.00 8.59 C ATOM 240 O LEU A 15 5.718 -8.671 -2.836 1.00 7.79 O ATOM 241 CB LEU A 15 2.779 -7.265 -3.061 1.00 11.08 C ATOM 242 CG LEU A 15 1.234 -7.151 -2.804 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.876 -5.735 -2.484 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.400 -7.722 -3.941 1.00 15.27 C ATOM 0 H LEU A 15 3.844 -9.074 -1.203 1.00 8.29 H new ATOM 0 HA LEU A 15 2.784 -9.320 -3.925 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.304 -6.772 -2.243 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.021 -6.716 -3.971 1.00 11.08 H new ATOM 0 HG LEU A 15 0.991 -7.770 -1.940 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.197 -5.662 -2.307 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.414 -5.417 -1.591 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.150 -5.092 -3.321 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.659 -7.614 -3.705 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.623 -7.184 -4.862 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.637 -8.778 -4.071 1.00 15.27 H new ATOM 256 N GLU A 16 4.994 -8.348 -4.954 1.00 11.04 N ATOM 257 CA GLU A 16 6.304 -8.233 -5.607 1.00 11.50 C ATOM 258 C GLU A 16 6.398 -6.822 -6.154 1.00 10.13 C ATOM 259 O GLU A 16 5.622 -6.442 -7.024 1.00 9.83 O ATOM 260 CB GLU A 16 6.515 -9.315 -6.690 1.00 17.22 C ATOM 261 CG GLU A 16 7.848 -9.072 -7.416 1.00 23.33 C ATOM 262 CD GLU A 16 8.976 -9.412 -6.448 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.898 -10.430 -5.680 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.923 -8.622 -6.445 1.00 28.90 O ATOM 0 H GLU A 16 4.228 -8.245 -5.620 1.00 11.04 H new ATOM 0 HA GLU A 16 7.108 -8.409 -4.892 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.514 -10.305 -6.233 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.692 -9.293 -7.404 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.914 -9.691 -8.311 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.923 -8.034 -7.740 1.00 23.33 H new ATOM 271 N VAL A 17 7.361 -6.043 -5.627 1.00 8.99 N ATOM 272 CA VAL A 17 7.583 -4.666 -6.014 1.00 8.85 C ATOM 273 C VAL A 17 9.068 -4.447 -6.376 1.00 8.04 C ATOM 274 O VAL A 17 9.996 -5.186 -5.996 1.00 8.99 O ATOM 275 CB VAL A 17 7.173 -3.793 -4.877 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.670 -3.870 -4.654 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.984 -4.100 -3.590 1.00 10.54 C ATOM 0 H VAL A 17 8.008 -6.372 -4.911 1.00 8.99 H new ATOM 0 HA VAL A 17 6.992 -4.418 -6.896 1.00 8.85 H new ATOM 0 HB VAL A 17 7.408 -2.762 -5.141 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.392 -3.226 -3.820 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.151 -3.542 -5.555 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.388 -4.898 -4.427 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.654 -3.442 -2.786 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.824 -5.138 -3.298 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.045 -3.936 -3.781 1.00 10.54 H new ATOM 287 N GLU A 18 9.263 -3.362 -7.126 1.00 7.29 N ATOM 288 CA GLU A 18 10.516 -2.710 -7.048 1.00 7.08 C ATOM 289 C GLU A 18 10.571 -1.537 -5.974 1.00 6.45 C ATOM 290 O GLU A 18 9.495 -0.999 -5.582 1.00 5.28 O ATOM 291 CB GLU A 18 11.013 -2.107 -8.413 1.00 10.28 C ATOM 292 CG GLU A 18 10.756 -3.048 -9.625 1.00 12.65 C ATOM 293 CD GLU A 18 11.451 -2.668 -10.942 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.980 -1.658 -11.534 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.288 -3.400 -11.487 1.00 18.17 O ATOM 0 H GLU A 18 8.582 -2.949 -7.763 1.00 7.29 H new ATOM 0 HA GLU A 18 11.175 -3.522 -6.742 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.511 -1.155 -8.587 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.080 -1.897 -8.344 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.072 -4.054 -9.350 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.682 -3.089 -9.805 1.00 12.65 H new ATOM 302 N PRO A 19 11.723 -1.142 -5.593 1.00 7.24 N ATOM 303 CA PRO A 19 11.826 -0.005 -4.610 1.00 7.07 C ATOM 304 C PRO A 19 11.404 1.272 -5.309 1.00 6.65 C ATOM 305 O PRO A 19 11.032 2.159 -4.596 1.00 6.37 O ATOM 306 CB PRO A 19 13.299 -0.082 -4.261 1.00 7.61 C ATOM 307 CG PRO A 19 13.610 -1.617 -4.343 1.00 8.16 C ATOM 308 CD PRO A 19 12.866 -2.012 -5.584 1.00 7.49 C ATOM 0 HA PRO A 19 11.197 -0.042 -3.721 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.909 0.490 -4.961 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.498 0.316 -3.266 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.679 -1.814 -4.426 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.254 -2.154 -3.464 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.477 -1.878 -6.476 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.570 -3.061 -5.556 1.00 7.49 H new ATOM 316 N SER A 20 11.438 1.357 -6.711 1.00 6.80 N ATOM 317 CA SER A 20 11.000 2.428 -7.540 1.00 6.28 C ATOM 318 C SER A 20 9.533 2.419 -7.883 1.00 8.45 C ATOM 319 O SER A 20 9.091 3.404 -8.559 1.00 7.26 O ATOM 320 CB SER A 20 11.834 2.395 -8.806 1.00 8.57 C ATOM 321 OG SER A 20 11.961 1.079 -9.358 1.00 11.13 O ATOM 0 H SER A 20 11.812 0.588 -7.267 1.00 6.80 H new ATOM 0 HA SER A 20 11.137 3.349 -6.973 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.383 3.053 -9.549 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.827 2.790 -8.591 1.00 8.57 H new ATOM 0 HG SER A 20 12.506 1.117 -10.172 1.00 11.13 H new ATOM 327 N ASP A 21 8.788 1.357 -7.471 1.00 7.50 N ATOM 328 CA ASP A 21 7.344 1.381 -7.570 1.00 7.70 C ATOM 329 C ASP A 21 6.710 2.388 -6.643 1.00 7.08 C ATOM 330 O ASP A 21 6.979 2.333 -5.475 1.00 8.11 O ATOM 331 CB ASP A 21 6.791 -0.033 -7.293 1.00 11.00 C ATOM 332 CG ASP A 21 6.827 -0.908 -8.546 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.650 -0.461 -9.708 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.142 -2.145 -8.444 1.00 14.36 O ATOM 0 H ASP A 21 9.176 0.500 -7.078 1.00 7.50 H new ATOM 0 HA ASP A 21 7.087 1.692 -8.582 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.375 -0.504 -6.503 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.766 0.041 -6.930 1.00 11.00 H new ATOM 339 N THR A 22 5.798 3.226 -7.193 1.00 5.37 N ATOM 340 CA THR A 22 5.067 4.146 -6.329 1.00 6.01 C ATOM 341 C THR A 22 3.973 3.462 -5.531 1.00 8.01 C ATOM 342 O THR A 22 3.501 2.393 -5.809 1.00 8.11 O ATOM 343 CB THR A 22 4.473 5.300 -7.125 1.00 8.92 C ATOM 344 OG1 THR A 22 3.801 4.786 -8.305 1.00 10.22 O ATOM 345 CG2 THR A 22 5.548 6.208 -7.669 1.00 9.65 C ATOM 0 H THR A 22 5.567 3.276 -8.185 1.00 5.37 H new ATOM 0 HA THR A 22 5.800 4.535 -5.622 1.00 6.01 H new ATOM 0 HB THR A 22 3.806 5.832 -6.447 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.419 5.531 -8.814 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.088 7.020 -8.232 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.127 6.621 -6.843 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.207 5.639 -8.326 1.00 9.65 H new ATOM 353 N ILE A 23 3.510 4.172 -4.428 1.00 8.32 N ATOM 354 CA ILE A 23 2.383 3.774 -3.586 1.00 9.92 C ATOM 355 C ILE A 23 1.149 3.543 -4.459 1.00 10.01 C ATOM 356 O ILE A 23 0.544 2.481 -4.432 1.00 8.71 O ATOM 357 CB ILE A 23 2.177 4.731 -2.449 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.379 4.871 -1.446 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.791 4.415 -1.763 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.014 3.587 -0.915 1.00 12.30 C ATOM 0 H ILE A 23 3.941 5.045 -4.124 1.00 8.32 H new ATOM 0 HA ILE A 23 2.600 2.823 -3.099 1.00 9.92 H new ATOM 0 HB ILE A 23 2.145 5.735 -2.871 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.159 5.453 -1.937 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.036 5.454 -0.591 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.630 5.104 -0.934 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.011 4.530 -2.492 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.796 3.392 -1.388 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.829 3.838 -0.236 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.263 3.003 -0.382 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.404 3.002 -1.748 1.00 12.30 H new ATOM 372 N GLU A 24 0.918 4.448 -5.483 1.00 9.54 N ATOM 373 CA GLU A 24 -0.092 4.247 -6.542 1.00 11.81 C ATOM 374 C GLU A 24 0.052 2.919 -7.339 1.00 11.14 C ATOM 375 O GLU A 24 -0.905 2.177 -7.714 1.00 10.62 O ATOM 376 CB GLU A 24 0.020 5.354 -7.519 1.00 19.24 C ATOM 377 CG GLU A 24 -1.114 5.423 -8.510 1.00 27.76 C ATOM 378 CD GLU A 24 -0.923 6.547 -9.518 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.121 6.569 -10.235 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.801 7.404 -9.746 1.00 34.80 O ATOM 0 H GLU A 24 1.434 5.323 -5.576 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.053 4.213 -6.029 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.071 6.298 -6.977 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.958 5.248 -8.064 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.193 4.472 -9.038 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.053 5.570 -7.977 1.00 27.76 H new ATOM 387 N ASN A 25 1.280 2.470 -7.647 1.00 9.43 N ATOM 388 CA ASN A 25 1.635 1.178 -8.214 1.00 10.96 C ATOM 389 C ASN A 25 1.313 0.034 -7.258 1.00 9.68 C ATOM 390 O ASN A 25 0.668 -0.938 -7.665 1.00 9.33 O ATOM 391 CB ASN A 25 3.053 1.024 -8.691 1.00 16.78 C ATOM 392 CG ASN A 25 3.401 1.785 -9.984 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.694 2.666 -10.523 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.549 1.400 -10.500 1.00 24.70 N ATOM 0 H ASN A 25 2.104 3.050 -7.491 1.00 9.43 H new ATOM 0 HA ASN A 25 1.012 1.133 -9.107 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.723 1.360 -7.900 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.252 -0.036 -8.848 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.887 1.823 -11.365 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.101 0.679 -10.035 1.00 24.70 H new ATOM 401 N VAL A 26 1.658 0.175 -5.909 1.00 6.52 N ATOM 402 CA VAL A 26 1.354 -0.834 -4.912 1.00 5.53 C ATOM 403 C VAL A 26 -0.159 -0.989 -4.764 1.00 4.42 C ATOM 404 O VAL A 26 -0.645 -2.131 -4.739 1.00 3.40 O ATOM 405 CB VAL A 26 2.033 -0.579 -3.537 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.896 -1.704 -2.541 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.572 -0.341 -3.719 1.00 8.12 C ATOM 0 H VAL A 26 2.143 0.991 -5.536 1.00 6.52 H new ATOM 0 HA VAL A 26 1.778 -1.770 -5.275 1.00 5.53 H new ATOM 0 HB VAL A 26 1.510 0.294 -3.145 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.401 -1.433 -1.614 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.840 -1.885 -2.339 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.347 -2.608 -2.949 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.030 -0.164 -2.746 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.024 -1.220 -4.179 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.733 0.527 -4.359 1.00 8.12 H new ATOM 417 N LYS A 27 -0.906 0.123 -4.760 1.00 2.64 N ATOM 418 CA LYS A 27 -2.346 0.116 -4.781 1.00 4.14 C ATOM 419 C LYS A 27 -2.960 -0.649 -6.013 1.00 5.58 C ATOM 420 O LYS A 27 -3.959 -1.370 -5.841 1.00 4.11 O ATOM 421 CB LYS A 27 -2.989 1.535 -4.874 1.00 3.97 C ATOM 422 CG LYS A 27 -2.626 2.415 -3.651 1.00 7.45 C ATOM 423 CD LYS A 27 -3.696 3.548 -3.505 1.00 9.02 C ATOM 424 CE LYS A 27 -3.483 4.482 -2.358 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.392 5.615 -2.588 1.00 15.47 N ATOM 0 H LYS A 27 -0.505 1.061 -4.742 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.573 -0.374 -3.834 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.654 2.026 -5.787 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.073 1.439 -4.943 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.594 1.808 -2.746 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.634 2.848 -3.779 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.714 4.129 -4.427 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.678 3.087 -3.399 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.702 3.992 -1.409 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.446 4.816 -2.313 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.858 6.506 -2.532 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.823 5.528 -3.530 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.139 5.614 -1.864 1.00 15.47 H new ATOM 439 N ALA A 28 -2.431 -0.488 -7.223 1.00 6.61 N ATOM 440 CA ALA A 28 -2.854 -1.204 -8.362 1.00 7.74 C ATOM 441 C ALA A 28 -2.510 -2.693 -8.396 1.00 9.17 C ATOM 442 O ALA A 28 -3.294 -3.467 -8.920 1.00 11.45 O ATOM 443 CB ALA A 28 -2.261 -0.555 -9.631 1.00 7.68 C ATOM 0 H ALA A 28 -1.676 0.170 -7.415 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.942 -1.149 -8.318 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.589 -1.109 -10.510 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.602 0.478 -9.705 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.173 -0.574 -9.575 1.00 7.68 H new ATOM 449 N LYS A 29 -1.418 -3.159 -7.771 1.00 8.96 N ATOM 450 CA LYS A 29 -1.199 -4.599 -7.596 1.00 7.90 C ATOM 451 C LYS A 29 -2.222 -5.176 -6.516 1.00 6.92 C ATOM 452 O LYS A 29 -2.818 -6.213 -6.664 1.00 6.87 O ATOM 453 CB LYS A 29 0.251 -4.722 -7.199 1.00 10.28 C ATOM 454 CG LYS A 29 1.232 -4.266 -8.279 1.00 14.94 C ATOM 455 CD LYS A 29 2.710 -4.513 -7.844 1.00 19.69 C ATOM 456 CE LYS A 29 3.759 -3.861 -8.733 1.00 22.63 C ATOM 457 NZ LYS A 29 3.789 -4.594 -10.052 1.00 24.98 N ATOM 0 H LYS A 29 -0.683 -2.567 -7.384 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.386 -5.188 -8.494 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.421 -4.135 -6.297 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.461 -5.761 -6.947 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.029 -4.801 -9.207 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.083 -3.206 -8.484 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.839 -4.146 -6.826 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.892 -5.588 -7.821 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.522 -2.809 -8.889 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.738 -3.900 -8.255 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.502 -4.161 -10.674 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.032 -5.592 -9.889 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.854 -4.535 -10.504 1.00 24.98 H new ATOM 471 N ILE A 30 -2.580 -4.389 -5.496 1.00 4.57 N ATOM 472 CA ILE A 30 -3.728 -4.631 -4.529 1.00 5.58 C ATOM 473 C ILE A 30 -5.029 -4.724 -5.325 1.00 7.26 C ATOM 474 O ILE A 30 -5.826 -5.638 -5.114 1.00 9.46 O ATOM 475 CB ILE A 30 -3.882 -3.583 -3.461 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.741 -3.693 -2.470 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.296 -3.630 -2.659 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.411 -2.354 -1.796 1.00 2.00 C ATOM 0 H ILE A 30 -2.078 -3.526 -5.288 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.496 -5.559 -4.007 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.865 -2.627 -3.985 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.998 -4.426 -1.706 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.854 -4.065 -2.983 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.316 -2.838 -1.910 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.117 -3.486 -3.361 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.404 -4.597 -2.168 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.587 -2.492 -1.096 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.125 -1.626 -2.555 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.287 -1.992 -1.258 1.00 2.00 H new ATOM 490 N GLN A 31 -5.254 -3.794 -6.277 1.00 7.06 N ATOM 491 CA GLN A 31 -6.378 -3.834 -7.204 1.00 8.67 C ATOM 492 C GLN A 31 -6.544 -5.188 -7.928 1.00 10.90 C ATOM 493 O GLN A 31 -7.571 -5.748 -8.090 1.00 9.63 O ATOM 494 CB GLN A 31 -6.416 -2.734 -8.246 1.00 9.12 C ATOM 495 CG GLN A 31 -7.584 -2.739 -9.271 1.00 10.76 C ATOM 496 CD GLN A 31 -7.483 -1.558 -10.155 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.551 -0.730 -10.160 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.514 -1.296 -10.920 1.00 14.76 N ATOM 0 H GLN A 31 -4.645 -2.988 -6.416 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.214 -3.672 -6.523 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.436 -1.778 -7.722 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.481 -2.771 -8.805 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.554 -3.652 -9.865 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.540 -2.731 -8.747 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.303 -1.942 -10.952 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.528 -0.446 -11.484 1.00 14.76 H new ATOM 507 N ASP A 32 -5.415 -5.733 -8.406 1.00 10.93 N ATOM 508 CA ASP A 32 -5.265 -6.966 -9.148 1.00 14.01 C ATOM 509 C ASP A 32 -5.540 -8.123 -8.208 1.00 14.04 C ATOM 510 O ASP A 32 -6.213 -9.087 -8.611 1.00 13.39 O ATOM 511 CB ASP A 32 -3.889 -7.061 -9.853 1.00 18.01 C ATOM 512 CG ASP A 32 -3.795 -8.229 -10.817 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.218 -7.990 -12.001 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.306 -9.314 -10.412 1.00 25.17 O ATOM 0 H ASP A 32 -4.516 -5.273 -8.264 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.989 -6.999 -9.962 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.700 -6.134 -10.395 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.107 -7.155 -9.100 1.00 18.01 H new ATOM 519 N LYS A 33 -5.117 -8.073 -6.959 1.00 14.22 N ATOM 520 CA LYS A 33 -5.432 -9.102 -5.935 1.00 14.00 C ATOM 521 C LYS A 33 -6.851 -9.087 -5.409 1.00 12.37 C ATOM 522 O LYS A 33 -7.658 -9.989 -5.459 1.00 12.17 O ATOM 523 CB LYS A 33 -4.395 -9.115 -4.823 1.00 18.62 C ATOM 524 CG LYS A 33 -2.897 -9.309 -5.334 1.00 24.00 C ATOM 525 CD LYS A 33 -2.584 -10.457 -6.340 1.00 27.61 C ATOM 526 CE LYS A 33 -1.032 -10.569 -6.546 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.742 -11.750 -7.365 1.00 30.06 N ATOM 0 H LYS A 33 -4.536 -7.314 -6.603 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.372 -10.051 -6.468 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.460 -8.179 -4.269 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.636 -9.916 -4.125 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.583 -8.373 -5.795 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.267 -9.459 -4.457 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.980 -11.401 -5.965 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.074 -10.262 -7.294 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.651 -9.671 -7.033 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.529 -10.647 -5.582 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.285 -11.831 -7.506 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.094 -12.602 -6.883 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.212 -11.656 -8.288 1.00 30.06 H new ATOM 541 N GLU A 34 -7.254 -7.989 -4.845 1.00 10.11 N ATOM 542 CA GLU A 34 -8.417 -7.999 -3.936 1.00 10.07 C ATOM 543 C GLU A 34 -9.595 -7.334 -4.569 1.00 9.32 C ATOM 544 O GLU A 34 -10.706 -7.289 -4.056 1.00 11.61 O ATOM 545 CB GLU A 34 -8.163 -7.199 -2.603 1.00 14.77 C ATOM 546 CG GLU A 34 -7.215 -7.959 -1.697 1.00 18.75 C ATOM 547 CD GLU A 34 -7.783 -9.241 -1.110 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.759 -9.100 -0.282 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.383 -10.381 -1.451 1.00 25.19 O ATOM 0 H GLU A 34 -6.820 -7.076 -4.979 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.593 -9.053 -3.724 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.746 -6.219 -2.835 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.109 -7.029 -2.088 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.314 -8.202 -2.260 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.913 -7.304 -0.879 1.00 18.75 H new ATOM 556 N GLY A 35 -9.396 -6.746 -5.843 1.00 7.22 N ATOM 557 CA GLY A 35 -10.478 -6.083 -6.500 1.00 6.29 C ATOM 558 C GLY A 35 -10.740 -4.640 -6.068 1.00 6.93 C ATOM 559 O GLY A 35 -11.651 -4.022 -6.597 1.00 7.41 O ATOM 0 H GLY A 35 -8.515 -6.753 -6.356 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.285 -6.091 -7.573 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.387 -6.662 -6.335 1.00 6.29 H new ATOM 563 N ILE A 36 -9.986 -4.059 -5.140 1.00 5.86 N ATOM 564 CA ILE A 36 -10.186 -2.732 -4.535 1.00 6.07 C ATOM 565 C ILE A 36 -9.799 -1.590 -5.480 1.00 6.36 C ATOM 566 O ILE A 36 -8.612 -1.554 -5.789 1.00 6.18 O ATOM 567 CB ILE A 36 -9.409 -2.574 -3.230 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.599 -3.745 -2.312 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.943 -1.202 -2.564 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.742 -3.899 -1.091 1.00 9.49 C ATOM 0 H ILE A 36 -9.163 -4.527 -4.761 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.254 -2.669 -4.329 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.336 -2.535 -3.418 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.636 -3.727 -1.977 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.473 -4.647 -2.910 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.424 -1.029 -1.621 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.751 -0.370 -3.242 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.014 -1.280 -2.379 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.029 -4.804 -0.557 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.695 -3.969 -1.388 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.877 -3.035 -0.440 1.00 9.49 H new ATOM 582 N PRO A 37 -10.595 -0.609 -5.913 1.00 8.65 N ATOM 583 CA PRO A 37 -10.067 0.605 -6.557 1.00 9.18 C ATOM 584 C PRO A 37 -8.959 1.385 -5.849 1.00 9.85 C ATOM 585 O PRO A 37 -9.195 1.663 -4.689 1.00 8.51 O ATOM 586 CB PRO A 37 -11.315 1.556 -6.622 1.00 11.42 C ATOM 587 CG PRO A 37 -12.405 0.552 -6.784 1.00 9.27 C ATOM 588 CD PRO A 37 -12.058 -0.637 -5.909 1.00 8.33 C ATOM 0 HA PRO A 37 -9.601 0.289 -7.490 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.431 2.153 -5.717 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.264 2.253 -7.459 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.365 0.977 -6.491 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.495 0.248 -7.827 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.464 -0.534 -4.903 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.448 -1.570 -6.316 1.00 8.33 H new ATOM 596 N PRO A 38 -7.870 1.765 -6.448 1.00 8.71 N ATOM 597 CA PRO A 38 -6.860 2.623 -5.770 1.00 9.08 C ATOM 598 C PRO A 38 -7.304 3.857 -4.962 1.00 9.28 C ATOM 599 O PRO A 38 -6.876 4.131 -3.862 1.00 6.50 O ATOM 600 CB PRO A 38 -5.919 2.913 -6.956 1.00 10.31 C ATOM 601 CG PRO A 38 -6.021 1.693 -7.845 1.00 10.81 C ATOM 602 CD PRO A 38 -7.427 1.308 -7.772 1.00 12.00 C ATOM 0 HA PRO A 38 -6.422 2.116 -4.910 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.221 3.815 -7.488 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.895 3.070 -6.618 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.724 1.921 -8.869 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.371 0.891 -7.496 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.008 1.776 -8.567 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.549 0.230 -7.880 1.00 12.00 H new ATOM 610 N ASP A 39 -8.340 4.525 -5.437 1.00 11.20 N ATOM 611 CA ASP A 39 -8.871 5.705 -4.784 1.00 14.96 C ATOM 612 C ASP A 39 -9.910 5.333 -3.675 1.00 13.99 C ATOM 613 O ASP A 39 -10.426 6.255 -3.016 1.00 13.75 O ATOM 614 CB ASP A 39 -9.571 6.541 -5.835 1.00 24.16 C ATOM 615 CG ASP A 39 -8.642 7.123 -6.855 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.949 6.374 -7.535 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.583 8.387 -6.892 1.00 34.22 O ATOM 0 H ASP A 39 -8.837 4.263 -6.288 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.050 6.245 -4.313 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.314 5.925 -6.342 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.110 7.351 -5.343 1.00 24.16 H new ATOM 622 N GLN A 40 -10.079 4.011 -3.358 1.00 11.60 N ATOM 623 CA GLN A 40 -10.692 3.556 -2.212 1.00 10.76 C ATOM 624 C GLN A 40 -9.689 3.153 -1.143 1.00 8.01 C ATOM 625 O GLN A 40 -10.103 2.868 -0.001 1.00 8.96 O ATOM 626 CB GLN A 40 -11.691 2.419 -2.462 1.00 11.14 C ATOM 627 CG GLN A 40 -12.893 2.508 -1.528 1.00 14.85 C ATOM 628 CD GLN A 40 -13.780 1.275 -1.711 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.793 0.305 -0.909 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.598 1.273 -2.850 1.00 18.16 N ATOM 0 H GLN A 40 -9.755 3.257 -3.964 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.264 4.408 -1.844 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.031 2.455 -3.497 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.193 1.460 -2.323 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.557 2.576 -0.493 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.463 3.413 -1.739 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.579 2.065 -3.493 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.212 0.480 -3.036 1.00 18.16 H new ATOM 639 N GLN A 41 -8.366 3.240 -1.407 1.00 6.52 N ATOM 640 CA GLN A 41 -7.323 2.545 -0.638 1.00 3.87 C ATOM 641 C GLN A 41 -6.420 3.631 0.100 1.00 4.79 C ATOM 642 O GLN A 41 -6.036 4.687 -0.399 1.00 6.34 O ATOM 643 CB GLN A 41 -6.362 1.774 -1.513 1.00 4.20 C ATOM 644 CG GLN A 41 -6.970 0.517 -2.150 1.00 3.20 C ATOM 645 CD GLN A 41 -5.825 -0.074 -3.018 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.682 -0.204 -2.650 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.151 -0.565 -4.265 1.00 7.13 N ATOM 0 H GLN A 41 -7.993 3.804 -2.171 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.844 1.865 0.036 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.000 2.431 -2.304 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.496 1.485 -0.917 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.299 -0.193 -1.391 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.842 0.762 -2.757 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.105 -0.476 -4.615 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.438 -1.017 -4.838 1.00 7.13 H new ATOM 656 N ARG A 42 -6.106 3.373 1.403 1.00 5.73 N ATOM 657 CA ARG A 42 -5.169 4.206 2.122 1.00 6.97 C ATOM 658 C ARG A 42 -3.986 3.397 2.578 1.00 7.15 C ATOM 659 O ARG A 42 -4.136 2.508 3.427 1.00 7.33 O ATOM 660 CB ARG A 42 -5.993 4.785 3.306 1.00 13.23 C ATOM 661 CG ARG A 42 -7.016 5.798 2.873 1.00 21.27 C ATOM 662 CD ARG A 42 -7.532 6.670 3.996 1.00 26.14 C ATOM 663 NE ARG A 42 -8.217 7.779 3.302 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.628 8.895 3.996 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.892 8.799 5.302 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.921 10.015 3.303 1.00 36.39 N ATOM 0 H ARG A 42 -6.495 2.602 1.946 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.747 5.004 1.511 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.496 3.969 3.825 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.313 5.247 4.022 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.579 6.435 2.104 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.857 5.277 2.415 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.216 6.122 4.645 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.719 7.034 4.624 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.387 7.718 2.298 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.789 7.903 5.779 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.197 9.622 5.822 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.836 10.023 2.287 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.227 10.854 3.796 1.00 36.39 H new ATOM 680 N LEU A 43 -2.808 3.658 2.045 1.00 4.65 N ATOM 681 CA LEU A 43 -1.685 2.838 2.478 1.00 3.51 C ATOM 682 C LEU A 43 -1.007 3.462 3.658 1.00 5.56 C ATOM 683 O LEU A 43 -0.599 4.663 3.646 1.00 4.19 O ATOM 684 CB LEU A 43 -0.825 2.368 1.306 1.00 3.74 C ATOM 685 CG LEU A 43 -1.547 1.685 0.126 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.560 0.913 -0.729 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.702 0.739 0.396 1.00 6.41 C ATOM 0 H LEU A 43 -2.605 4.382 1.355 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.033 1.883 2.871 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.285 3.231 0.917 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.079 1.673 1.692 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.998 2.555 -0.352 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.088 0.438 -1.556 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.192 1.596 -1.123 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.074 0.149 -0.123 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.086 0.354 -0.549 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.356 -0.091 1.012 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.495 1.273 0.919 1.00 6.41 H new ATOM 699 N ILE A 44 -0.851 2.644 4.751 1.00 4.58 N ATOM 700 CA ILE A 44 -0.384 3.151 6.051 1.00 5.55 C ATOM 701 C ILE A 44 0.996 2.535 6.327 1.00 5.46 C ATOM 702 O ILE A 44 1.228 1.387 6.056 1.00 6.04 O ATOM 703 CB ILE A 44 -1.362 2.719 7.157 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.791 3.300 7.054 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.838 2.986 8.639 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.894 4.796 7.021 1.00 13.90 C ATOM 0 H ILE A 44 -1.045 1.643 4.739 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.326 4.239 6.035 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.414 1.646 6.970 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.258 2.904 6.152 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.372 2.935 7.901 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.588 2.652 9.356 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.089 2.436 8.802 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.656 4.052 8.774 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.942 5.087 6.948 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.465 5.210 7.933 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.350 5.179 6.158 1.00 13.90 H new ATOM 718 N PHE A 45 1.930 3.323 6.939 1.00 6.75 N ATOM 719 CA PHE A 45 3.096 2.756 7.581 1.00 4.70 C ATOM 720 C PHE A 45 3.307 3.507 8.858 1.00 6.34 C ATOM 721 O PHE A 45 3.431 4.728 8.866 1.00 5.45 O ATOM 722 CB PHE A 45 4.404 2.724 6.664 1.00 5.51 C ATOM 723 CG PHE A 45 5.557 1.969 7.188 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.415 0.555 7.422 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.903 2.476 7.098 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.504 -0.140 7.878 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.007 1.680 7.429 1.00 6.64 C ATOM 728 CZ PHE A 45 7.763 0.404 7.888 1.00 6.84 C ATOM 0 H PHE A 45 1.875 4.340 6.987 1.00 6.75 H new ATOM 0 HA PHE A 45 2.910 1.700 7.779 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.132 2.303 5.696 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.721 3.752 6.487 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.474 0.056 7.243 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.064 3.492 6.768 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.367 -1.148 8.241 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.015 2.054 7.328 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.586 -0.184 8.266 1.00 6.84 H new ATOM 738 N ALA A 46 3.502 2.752 9.947 1.00 6.53 N ATOM 739 CA ALA A 46 3.947 3.299 11.183 1.00 7.15 C ATOM 740 C ALA A 46 3.004 4.318 11.815 1.00 9.00 C ATOM 741 O ALA A 46 3.310 5.349 12.377 1.00 11.15 O ATOM 742 CB ALA A 46 5.349 3.828 11.227 1.00 8.99 C ATOM 0 H ALA A 46 3.348 1.744 9.970 1.00 6.53 H new ATOM 0 HA ALA A 46 3.941 2.392 11.788 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.561 4.215 12.224 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.048 3.025 10.993 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.459 4.629 10.496 1.00 8.99 H new ATOM 748 N GLY A 47 1.741 4.031 11.701 1.00 9.35 N ATOM 749 CA GLY A 47 0.638 4.762 12.294 1.00 11.68 C ATOM 750 C GLY A 47 0.309 6.063 11.548 1.00 11.14 C ATOM 751 O GLY A 47 -0.470 6.872 11.966 1.00 13.93 O ATOM 0 H GLY A 47 1.423 3.229 11.157 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.246 4.125 12.309 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.880 4.996 13.331 1.00 11.68 H new ATOM 755 N LYS A 48 0.905 6.271 10.322 1.00 10.47 N ATOM 756 CA LYS A 48 0.497 7.289 9.453 1.00 8.82 C ATOM 757 C LYS A 48 0.429 6.857 7.960 1.00 7.68 C ATOM 758 O LYS A 48 0.932 5.825 7.541 1.00 6.47 O ATOM 759 CB LYS A 48 1.533 8.455 9.536 1.00 9.74 C ATOM 760 CG LYS A 48 2.927 8.198 9.017 1.00 14.14 C ATOM 761 CD LYS A 48 3.756 9.529 9.026 1.00 16.32 C ATOM 762 CE LYS A 48 5.256 9.438 8.831 1.00 20.04 C ATOM 763 NZ LYS A 48 5.543 8.795 7.565 1.00 23.92 N ATOM 0 H LYS A 48 1.675 5.705 9.966 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.507 7.574 9.768 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.124 9.305 8.990 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.615 8.756 10.580 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.421 7.448 9.634 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.879 7.797 8.005 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.357 10.175 8.244 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.573 10.029 9.977 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.697 10.435 8.852 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.705 8.873 9.648 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.571 8.779 7.409 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.180 7.821 7.580 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.084 9.323 6.795 1.00 23.92 H new ATOM 777 N GLN A 49 -0.239 7.707 7.150 1.00 8.89 N ATOM 778 CA GLN A 49 -0.498 7.383 5.736 1.00 7.18 C ATOM 779 C GLN A 49 0.681 7.768 4.808 1.00 8.23 C ATOM 780 O GLN A 49 1.440 8.710 5.094 1.00 9.70 O ATOM 781 CB GLN A 49 -1.800 8.003 5.250 1.00 11.67 C ATOM 782 CG GLN A 49 -2.349 7.610 3.804 1.00 15.82 C ATOM 783 CD GLN A 49 -3.797 7.983 3.623 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.612 7.925 4.587 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.159 8.431 2.391 1.00 20.67 N ATOM 0 H GLN A 49 -0.604 8.611 7.449 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.599 6.299 5.685 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.575 7.754 5.975 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.678 9.086 5.273 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.750 8.108 3.042 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.230 6.537 3.652 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.472 8.463 1.638 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.118 8.735 2.220 1.00 20.67 H new ATOM 794 N LEU A 50 0.874 6.979 3.756 1.00 6.51 N ATOM 795 CA LEU A 50 1.954 7.218 2.768 1.00 7.41 C ATOM 796 C LEU A 50 1.314 7.958 1.563 1.00 8.27 C ATOM 797 O LEU A 50 0.134 7.859 1.390 1.00 8.34 O ATOM 798 CB LEU A 50 2.669 5.838 2.394 1.00 7.13 C ATOM 799 CG LEU A 50 3.268 5.081 3.522 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.034 3.939 3.035 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.220 5.928 4.387 1.00 9.11 C ATOM 0 H LEU A 50 0.300 6.161 3.553 1.00 6.51 H new ATOM 0 HA LEU A 50 2.751 7.848 3.164 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.938 5.197 1.901 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.453 6.045 1.666 1.00 7.13 H new ATOM 0 HG LEU A 50 2.421 4.764 4.131 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.462 3.401 3.881 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.378 3.272 2.476 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.835 4.289 2.384 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.623 5.314 5.193 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.038 6.300 3.770 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.674 6.771 4.811 1.00 9.11 H new ATOM 813 N GLU A 51 2.050 8.706 0.751 1.00 9.43 N ATOM 814 CA GLU A 51 1.483 9.509 -0.343 1.00 11.90 C ATOM 815 C GLU A 51 1.631 8.732 -1.693 1.00 11.49 C ATOM 816 O GLU A 51 2.605 8.088 -2.058 1.00 9.88 O ATOM 817 CB GLU A 51 2.202 10.822 -0.386 1.00 16.56 C ATOM 818 CG GLU A 51 1.789 11.809 0.736 1.00 26.06 C ATOM 819 CD GLU A 51 2.515 13.144 0.573 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.774 13.142 0.440 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.846 14.219 0.523 1.00 33.44 O ATOM 0 H GLU A 51 3.065 8.778 0.827 1.00 9.43 H new ATOM 0 HA GLU A 51 0.421 9.692 -0.180 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.274 10.639 -0.317 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.020 11.292 -1.353 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.711 11.969 0.708 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.022 11.379 1.710 1.00 26.06 H new ATOM 828 N ASP A 52 0.509 8.819 -2.455 1.00 12.71 N ATOM 829 CA ASP A 52 0.270 8.004 -3.625 1.00 16.56 C ATOM 830 C ASP A 52 1.288 8.085 -4.713 1.00 15.83 C ATOM 831 O ASP A 52 1.720 7.091 -5.242 1.00 17.21 O ATOM 832 CB ASP A 52 -1.066 8.222 -4.316 1.00 21.05 C ATOM 833 CG ASP A 52 -2.115 8.495 -3.240 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.348 7.545 -2.438 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.791 9.598 -3.225 1.00 25.82 O ATOM 0 H ASP A 52 -0.249 9.471 -2.253 1.00 12.71 H new ATOM 0 HA ASP A 52 0.310 7.027 -3.144 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.004 9.061 -5.009 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.340 7.344 -4.901 1.00 21.05 H new ATOM 840 N GLY A 53 1.779 9.363 -4.988 1.00 15.00 N ATOM 841 CA GLY A 53 2.807 9.550 -6.083 1.00 11.77 C ATOM 842 C GLY A 53 4.268 9.197 -5.762 1.00 11.10 C ATOM 843 O GLY A 53 5.077 9.233 -6.647 1.00 11.25 O ATOM 0 H GLY A 53 1.499 10.215 -4.501 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.498 8.950 -6.939 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.776 10.593 -6.397 1.00 11.77 H new ATOM 847 N ARG A 54 4.506 8.799 -4.518 1.00 8.53 N ATOM 848 CA ARG A 54 5.877 8.635 -3.980 1.00 9.05 C ATOM 849 C ARG A 54 6.357 7.163 -4.067 1.00 8.96 C ATOM 850 O ARG A 54 5.477 6.279 -4.024 1.00 11.60 O ATOM 851 CB ARG A 54 5.963 8.894 -2.480 1.00 7.97 C ATOM 852 CG ARG A 54 5.451 10.283 -1.926 1.00 9.62 C ATOM 853 CD ARG A 54 6.201 11.503 -2.361 1.00 12.20 C ATOM 854 NE ARG A 54 5.682 12.619 -1.495 1.00 18.23 N ATOM 855 CZ ARG A 54 6.266 13.850 -1.486 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.357 14.094 -2.213 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.764 14.803 -0.735 1.00 23.38 N ATOM 0 H ARG A 54 3.769 8.579 -3.848 1.00 8.53 H new ATOM 0 HA ARG A 54 6.464 9.337 -4.573 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.402 8.108 -1.975 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.006 8.782 -2.183 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.408 10.402 -2.221 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.472 10.242 -0.837 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.275 11.371 -2.231 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.031 11.713 -3.417 1.00 12.20 H new ATOM 0 HE ARG A 54 4.872 12.449 -0.899 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.765 13.354 -2.785 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.784 15.020 -2.197 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.940 14.620 -0.162 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.198 15.726 -0.725 1.00 23.38 H new ATOM 871 N THR A 55 7.682 6.860 -4.018 1.00 9.05 N ATOM 872 CA THR A 55 8.122 5.477 -4.151 1.00 9.03 C ATOM 873 C THR A 55 8.514 4.890 -2.859 1.00 8.15 C ATOM 874 O THR A 55 8.704 5.592 -1.844 1.00 5.91 O ATOM 875 CB THR A 55 9.286 5.305 -5.102 1.00 11.15 C ATOM 876 OG1 THR A 55 10.523 5.987 -4.761 1.00 11.95 O ATOM 877 CG2 THR A 55 8.989 5.927 -6.477 1.00 11.71 C ATOM 0 H THR A 55 8.430 7.542 -3.891 1.00 9.05 H new ATOM 0 HA THR A 55 7.252 4.959 -4.555 1.00 9.03 H new ATOM 0 HB THR A 55 9.408 4.222 -5.068 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.336 6.931 -4.575 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.847 5.784 -7.134 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.114 5.445 -6.913 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.795 6.993 -6.360 1.00 11.71 H new ATOM 885 N LEU A 56 8.588 3.568 -2.834 1.00 6.91 N ATOM 886 CA LEU A 56 9.074 2.824 -1.688 1.00 8.29 C ATOM 887 C LEU A 56 10.437 3.289 -1.185 1.00 8.05 C ATOM 888 O LEU A 56 10.635 3.547 0.006 1.00 10.17 O ATOM 889 CB LEU A 56 8.978 1.283 -1.951 1.00 6.60 C ATOM 890 CG LEU A 56 7.515 0.760 -2.090 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.536 -0.765 -2.415 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.650 1.010 -0.900 1.00 8.64 C ATOM 0 H LEU A 56 8.309 2.978 -3.618 1.00 6.91 H new ATOM 0 HA LEU A 56 8.412 3.045 -0.851 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.528 1.044 -2.861 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.468 0.753 -1.134 1.00 6.60 H new ATOM 0 HG LEU A 56 7.069 1.331 -2.904 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.514 -1.130 -2.512 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.071 -0.930 -3.350 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.038 -1.302 -1.610 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.652 0.613 -1.086 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.080 0.517 -0.028 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.586 2.082 -0.716 1.00 8.64 H new ATOM 904 N SER A 57 11.397 3.529 -2.103 1.00 8.92 N ATOM 905 CA SER A 57 12.738 3.976 -1.797 1.00 9.00 C ATOM 906 C SER A 57 12.801 5.395 -1.162 1.00 9.44 C ATOM 907 O SER A 57 13.697 5.824 -0.457 1.00 10.91 O ATOM 908 CB SER A 57 13.727 3.778 -2.955 1.00 10.32 C ATOM 909 OG SER A 57 13.329 4.537 -4.075 1.00 13.59 O ATOM 0 H SER A 57 11.237 3.408 -3.103 1.00 8.92 H new ATOM 0 HA SER A 57 13.081 3.306 -1.009 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.728 4.076 -2.642 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.778 2.722 -3.222 1.00 10.32 H new ATOM 0 HG SER A 57 12.430 4.896 -3.924 1.00 13.59 H new ATOM 915 N ASP A 58 11.798 6.255 -1.375 1.00 9.11 N ATOM 916 CA ASP A 58 11.704 7.553 -0.716 1.00 7.91 C ATOM 917 C ASP A 58 11.382 7.515 0.742 1.00 9.12 C ATOM 918 O ASP A 58 11.732 8.473 1.502 1.00 8.61 O ATOM 919 CB ASP A 58 10.528 8.405 -1.348 1.00 8.41 C ATOM 920 CG ASP A 58 10.702 8.679 -2.783 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.706 9.417 -3.057 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.859 8.308 -3.650 1.00 10.05 O ATOM 0 H ASP A 58 11.026 6.064 -2.014 1.00 9.11 H new ATOM 0 HA ASP A 58 12.700 7.973 -0.856 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.587 7.875 -1.200 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.449 9.352 -0.813 1.00 8.41 H new ATOM 927 N TYR A 59 10.732 6.436 1.216 1.00 7.97 N ATOM 928 CA TYR A 59 10.313 6.232 2.575 1.00 8.45 C ATOM 929 C TYR A 59 11.127 5.317 3.362 1.00 10.98 C ATOM 930 O TYR A 59 10.800 4.971 4.499 1.00 12.95 O ATOM 931 CB TYR A 59 8.846 5.622 2.542 1.00 7.94 C ATOM 932 CG TYR A 59 7.853 6.758 2.295 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.720 7.822 3.151 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.981 6.584 1.186 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.773 8.786 2.845 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.976 7.461 0.964 1.00 6.52 C ATOM 937 CZ TYR A 59 5.843 8.545 1.810 1.00 6.76 C ATOM 938 OH TYR A 59 4.793 9.406 1.560 1.00 7.63 O ATOM 0 H TYR A 59 10.482 5.653 0.612 1.00 7.97 H new ATOM 0 HA TYR A 59 10.394 7.208 3.053 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.766 4.871 1.756 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.623 5.122 3.484 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.334 7.905 4.035 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.122 5.747 0.518 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.746 9.715 3.394 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.291 7.317 0.142 1.00 6.52 H new ATOM 0 HH TYR A 59 5.052 10.318 1.808 1.00 7.63 H new ATOM 948 N ASN A 60 12.144 4.815 2.649 1.00 12.38 N ATOM 949 CA ASN A 60 13.178 3.936 3.105 1.00 13.94 C ATOM 950 C ASN A 60 12.649 2.531 3.282 1.00 14.16 C ATOM 951 O ASN A 60 13.136 1.782 4.164 1.00 14.26 O ATOM 952 CB ASN A 60 13.928 4.361 4.390 1.00 19.23 C ATOM 953 CG ASN A 60 14.508 5.755 4.285 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.171 6.570 5.174 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.247 6.169 3.265 1.00 24.09 N ATOM 0 H ASN A 60 12.255 5.044 1.661 1.00 12.38 H new ATOM 0 HA ASN A 60 13.921 3.988 2.309 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.244 4.318 5.238 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.730 3.651 4.591 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.537 7.145 3.208 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.526 5.511 2.537 1.00 24.09 H new ATOM 962 N ILE A 61 11.631 2.173 2.540 1.00 11.08 N ATOM 963 CA ILE A 61 10.921 0.908 2.617 1.00 11.78 C ATOM 964 C ILE A 61 11.793 -0.312 2.039 1.00 13.74 C ATOM 965 O ILE A 61 12.259 -0.281 0.877 1.00 14.60 O ATOM 966 CB ILE A 61 9.440 0.962 2.167 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.549 1.966 2.983 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.801 -0.460 2.208 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.319 2.508 2.283 1.00 11.42 C ATOM 0 H ILE A 61 11.249 2.789 1.822 1.00 11.08 H new ATOM 0 HA ILE A 61 10.808 0.687 3.678 1.00 11.78 H new ATOM 0 HB ILE A 61 9.465 1.338 1.144 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.228 1.469 3.899 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.172 2.810 3.279 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.761 -0.401 1.888 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.349 -1.124 1.540 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.847 -0.850 3.225 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.791 3.188 2.951 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.619 3.044 1.382 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.661 1.682 2.012 1.00 11.42 H new ATOM 981 N GLN A 62 11.932 -1.383 2.906 1.00 13.97 N ATOM 982 CA GLN A 62 12.899 -2.433 2.675 1.00 15.52 C ATOM 983 C GLN A 62 12.207 -3.744 2.354 1.00 13.94 C ATOM 984 O GLN A 62 10.967 -3.871 2.302 1.00 12.15 O ATOM 985 CB GLN A 62 13.750 -2.620 3.997 1.00 19.53 C ATOM 986 CG GLN A 62 15.182 -3.233 3.801 1.00 26.38 C ATOM 987 CD GLN A 62 15.945 -2.883 2.529 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.847 -3.621 1.581 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.670 -1.704 2.511 1.00 32.71 N ATOM 0 H GLN A 62 11.374 -1.505 3.751 1.00 13.97 H new ATOM 0 HA GLN A 62 13.532 -2.157 1.832 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.853 -1.649 4.482 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.191 -3.259 4.680 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.794 -2.930 4.651 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.089 -4.318 3.846 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.716 -1.121 3.346 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.159 -1.419 1.662 1.00 32.71 H new ATOM 998 N LYS A 63 12.979 -4.815 2.038 1.00 11.73 N ATOM 999 CA LYS A 63 12.448 -6.081 1.728 1.00 11.97 C ATOM 1000 C LYS A 63 11.628 -6.736 2.840 1.00 10.41 C ATOM 1001 O LYS A 63 12.052 -6.693 4.010 1.00 9.59 O ATOM 1002 CB LYS A 63 13.541 -6.977 1.243 1.00 13.73 C ATOM 1003 CG LYS A 63 14.727 -7.319 2.173 1.00 16.98 C ATOM 1004 CD LYS A 63 15.801 -8.229 1.493 1.00 20.19 C ATOM 1005 CE LYS A 63 15.300 -9.618 1.137 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.068 -10.418 2.343 1.00 25.97 N ATOM 0 H LYS A 63 13.998 -4.778 2.003 1.00 11.73 H new ATOM 0 HA LYS A 63 11.719 -5.917 0.935 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.080 -7.919 0.945 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.955 -6.525 0.342 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.200 -6.394 2.503 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.349 -7.819 3.065 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.156 -7.739 0.586 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.657 -8.323 2.161 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.375 -9.539 0.565 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.028 -10.119 0.499 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.645 -11.282 2.303 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.332 -9.864 3.183 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.062 -10.676 2.400 1.00 25.97 H new ATOM 1020 N GLU A 64 10.483 -7.335 2.560 1.00 10.04 N ATOM 1021 CA GLU A 64 9.658 -8.143 3.377 1.00 10.94 C ATOM 1022 C GLU A 64 9.063 -7.420 4.603 1.00 9.74 C ATOM 1023 O GLU A 64 8.865 -8.001 5.691 1.00 9.42 O ATOM 1024 CB GLU A 64 10.417 -9.432 3.832 1.00 18.31 C ATOM 1025 CG GLU A 64 10.732 -10.344 2.662 1.00 24.16 C ATOM 1026 CD GLU A 64 11.366 -11.631 3.189 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.635 -11.565 3.251 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.706 -12.607 3.449 1.00 32.61 O ATOM 0 H GLU A 64 10.078 -7.239 1.629 1.00 10.04 H new ATOM 0 HA GLU A 64 8.810 -8.410 2.746 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.343 -9.150 4.333 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.812 -9.972 4.561 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.822 -10.573 2.108 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.411 -9.846 1.969 1.00 24.16 H new ATOM 1035 N SER A 65 8.703 -6.207 4.276 1.00 6.85 N ATOM 1036 CA SER A 65 8.207 -5.234 5.177 1.00 6.90 C ATOM 1037 C SER A 65 6.682 -5.327 5.291 1.00 4.72 C ATOM 1038 O SER A 65 6.081 -5.898 4.410 1.00 3.91 O ATOM 1039 CB SER A 65 8.560 -3.772 4.789 1.00 7.28 C ATOM 1040 OG SER A 65 9.980 -3.643 4.743 1.00 10.56 O ATOM 0 H SER A 65 8.756 -5.865 3.316 1.00 6.85 H new ATOM 0 HA SER A 65 8.695 -5.460 6.125 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.126 -3.522 3.821 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.140 -3.076 5.515 1.00 7.28 H new ATOM 0 HG SER A 65 10.264 -3.482 3.819 1.00 10.56 H new ATOM 1046 N THR A 66 6.051 -4.955 6.421 1.00 4.48 N ATOM 1047 CA THR A 66 4.617 -5.068 6.628 1.00 3.80 C ATOM 1048 C THR A 66 4.095 -3.678 6.668 1.00 4.60 C ATOM 1049 O THR A 66 4.414 -2.801 7.454 1.00 5.33 O ATOM 1050 CB THR A 66 4.256 -5.791 7.883 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.520 -7.146 7.691 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.781 -5.712 8.304 1.00 3.40 C ATOM 0 H THR A 66 6.544 -4.562 7.223 1.00 4.48 H new ATOM 0 HA THR A 66 4.179 -5.656 5.822 1.00 3.80 H new ATOM 0 HB THR A 66 4.843 -5.307 8.664 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.292 -7.642 8.505 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.636 -6.273 9.227 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.504 -4.670 8.465 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.155 -6.137 7.519 1.00 3.40 H new ATOM 1060 N LEU A 67 3.266 -3.336 5.674 1.00 4.17 N ATOM 1061 CA LEU A 67 2.514 -2.139 5.470 1.00 3.85 C ATOM 1062 C LEU A 67 1.116 -2.506 5.746 1.00 3.80 C ATOM 1063 O LEU A 67 0.703 -3.656 5.825 1.00 5.54 O ATOM 1064 CB LEU A 67 2.574 -1.627 4.031 1.00 7.18 C ATOM 1065 CG LEU A 67 3.894 -1.315 3.292 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.973 -0.650 4.175 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.494 -2.629 2.677 1.00 11.66 C ATOM 0 H LEU A 67 3.102 -3.991 4.909 1.00 4.17 H new ATOM 0 HA LEU A 67 2.916 -1.352 6.109 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.047 -2.361 3.422 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.984 -0.711 4.006 1.00 7.18 H new ATOM 0 HG LEU A 67 3.627 -0.598 2.516 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.867 -0.465 3.580 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.594 0.295 4.563 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.221 -1.310 5.006 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.424 -2.396 2.159 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.692 -3.346 3.474 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.783 -3.058 1.971 1.00 11.66 H new ATOM 1079 N HIS A 68 0.341 -1.471 6.029 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.054 -1.615 6.502 1.00 4.17 C ATOM 1081 C HIS A 68 -1.921 -0.986 5.473 1.00 5.32 C ATOM 1082 O HIS A 68 -1.553 0.020 4.859 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.229 -0.948 7.912 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.762 -1.849 8.977 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.482 -1.868 9.566 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.411 -2.968 9.433 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.493 -2.908 10.450 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.632 -3.557 10.424 1.00 16.30 N ATOM 0 H HIS A 68 0.648 -0.502 5.942 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.328 -2.662 6.628 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.670 -0.013 7.949 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.278 -0.699 8.074 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.366 -3.331 9.082 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.328 -3.159 11.088 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.894 -4.346 11.016 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.080 -1.584 5.192 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.094 -1.251 4.225 1.00 3.97 C ATOM 1098 C LEU A 69 -5.436 -0.887 4.950 1.00 5.07 C ATOM 1099 O LEU A 69 -6.083 -1.728 5.552 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.275 -2.304 3.122 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.495 -2.263 2.195 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.569 -0.975 1.438 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.325 -3.523 1.261 1.00 9.96 C ATOM 0 H LEU A 69 -3.351 -2.419 5.712 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.746 -0.368 3.689 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.389 -2.261 2.489 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.273 -3.280 3.607 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.438 -2.302 2.740 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.447 -0.983 0.792 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.643 -0.144 2.140 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.672 -0.858 0.830 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.159 -3.572 0.561 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.390 -3.441 0.706 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.308 -4.427 1.869 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.811 0.412 4.936 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.078 0.798 5.522 1.00 6.26 C ATOM 1117 C VAL A 70 -7.852 1.428 4.379 1.00 9.22 C ATOM 1118 O VAL A 70 -7.395 1.960 3.400 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.931 1.585 6.813 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.867 0.935 7.683 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.518 3.077 6.551 1.00 8.54 C ATOM 0 H VAL A 70 -5.264 1.174 4.536 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.658 -0.040 5.909 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.901 1.580 7.311 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.760 1.499 8.610 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.161 -0.089 7.913 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.916 0.929 7.151 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.425 3.601 7.502 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.563 3.103 6.027 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.280 3.564 5.942 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.152 1.337 4.538 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.092 1.726 3.493 1.00 16.06 C ATOM 1133 C LEU A 71 -10.648 3.183 3.728 1.00 18.09 C ATOM 1134 O LEU A 71 -10.608 3.719 4.822 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.191 0.683 2.987 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.681 -0.648 2.485 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.860 -1.630 2.029 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.694 -0.497 1.329 1.00 19.57 C ATOM 0 H LEU A 71 -9.595 0.993 5.390 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.454 1.719 2.609 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.885 0.495 3.806 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.763 1.152 2.187 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.166 -1.089 3.339 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.435 -2.570 1.678 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.520 -1.823 2.875 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.429 -1.166 1.223 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.358 -1.482 1.006 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.183 0.010 0.497 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.836 0.089 1.658 1.00 19.57 H new